HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12140",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=12138",
"results": [
{
"id": "mp-1066577",
"created_at": "2022-09-04T14:40:32.359250Z",
"structure_string": "Np2 Pt2\n1.0\n1.913021 -5.299038 0.000000\n1.913021 5.299038 0.000000\n0.000000 0.000000 4.403672\nNp Pt\n2 2\ndirect\n0.858456 0.141544 0.750000 Np\n0.141544 0.858456 0.250000 Np\n0.588686 0.411314 0.750000 Pt\n0.411314 0.588686 0.250000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"Pt"
],
"chemical_system": "Np-Pt",
"density": 16.072578183454205,
"density_atomic": 0.04480208858940175,
"volume": 89.28155195305399,
"volume_molar": 13.441651828313601,
"formula_full": "Np2 Pt2",
"formula_reduced": "NpPt",
"formula_anonymous": "AB",
"energy": -39.85966598,
"energy_per_atom": -9.964916495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.85966598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.073949,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.429000Z",
"spacegroup": 63
},
{
"id": "mp-972405",
"created_at": "2022-09-04T14:42:28.739190Z",
"structure_string": "U3 Cl1\n1.0\n-2.040151 2.040151 4.650038\n2.040151 -2.040151 4.650038\n2.040151 2.040151 -4.650038\nU Cl\n3 1\ndirect\n0.750000 0.250000 0.500000 U\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Cl"
],
"chemical_system": "Cl-U",
"density": 16.076912091511947,
"density_atomic": 0.05166766950949431,
"volume": 77.41785216894621,
"volume_molar": 11.655530077456634,
"formula_full": "U3 Cl1",
"formula_reduced": "U3Cl",
"formula_anonymous": "AB3",
"energy": -35.30878996,
"energy_per_atom": -8.82719749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.69478996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0818901,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.935000Z",
"spacegroup": 139
},
{
"id": "mp-1186761",
"created_at": "2022-09-04T14:42:09.837828Z",
"structure_string": "Ta2 Mn1 Re1\n1.0\n0.000000 3.146103 3.146103\n3.146103 0.000000 3.146103\n3.146103 3.146103 0.000000\nTa Mn Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Ta",
"density": 16.07855409377888,
"density_atomic": 0.06422604586664554,
"volume": 62.28002901354568,
"volume_molar": 9.3764775314114,
"formula_full": "Ta2 Mn1 Re1",
"formula_reduced": "Ta2MnRe",
"formula_anonymous": "ABC2",
"energy": -46.61472511,
"energy_per_atom": -11.6536812775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.61472511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.730000Z",
"spacegroup": 225
},
{
"id": "mp-1195853",
"created_at": "2022-09-04T14:47:18.697114Z",
"structure_string": "La8 Ir28\n1.0\n2.699292 -4.675312 0.000000\n2.699292 4.675312 0.000000\n0.000000 0.000000 26.563353\nLa Ir\n8 28\ndirect\n0.333333 0.666667 0.471078 La\n0.666667 0.333333 0.528922 La\n0.666667 0.333333 0.971078 La\n0.333333 0.666667 0.028922 La\n0.333333 0.666667 0.325508 La\n0.666667 0.333333 0.674492 La\n0.666667 0.333333 0.825508 La\n0.333333 0.666667 0.174492 La\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.832194 0.167806 0.250000 Ir\n0.832194 0.664388 0.250000 Ir\n0.335612 0.167806 0.250000 Ir\n0.167806 0.832194 0.750000 Ir\n0.167806 0.335612 0.750000 Ir\n0.664388 0.832194 0.750000 Ir\n0.834336 0.165664 0.412934 Ir\n0.834336 0.668673 0.412934 Ir\n0.331327 0.165664 0.412934 Ir\n0.165664 0.834336 0.587066 Ir\n0.165664 0.331327 0.587066 Ir\n0.668673 0.834336 0.587066 Ir\n0.165664 0.834336 0.912934 Ir\n0.165664 0.331327 0.912934 Ir\n0.668673 0.834336 0.912934 Ir\n0.834336 0.165664 0.087066 Ir\n0.834336 0.668673 0.087066 Ir\n0.331327 0.165664 0.087066 Ir\n0.000000 0.000000 0.331814 Ir\n0.000000 0.000000 0.668186 Ir\n0.000000 0.000000 0.831814 Ir\n0.000000 0.000000 0.168186 Ir\n0.333333 0.666667 0.666624 Ir\n0.666667 0.333333 0.333376 Ir\n0.666667 0.333333 0.166624 Ir\n0.333333 0.666667 0.833376 Ir\n",
"nsites": 36,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 16.082091636548956,
"density_atomic": 0.053694418785614734,
"volume": 670.460744602468,
"volume_molar": 11.215580494584646,
"formula_full": "La8 Ir28",
"formula_reduced": "La2Ir7",
"formula_anonymous": "A2B7",
"energy": -304.14015078,
"energy_per_atom": -8.448337521666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.14015078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.730000Z",
"spacegroup": 194
},
{
"id": "mp-1025366",
"created_at": "2022-09-04T14:41:15.915256Z",
"structure_string": "Si1 Sb1 Pt5\n1.0\n3.996377 0.000000 0.000000\n0.000000 3.996377 0.000000\n0.000000 0.000000 7.273093\nSi Sb Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.300405 Pt\n0.000000 0.500000 0.699595 Pt\n0.500000 0.000000 0.300405 Pt\n0.500000 0.000000 0.699595 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Si",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Si",
"density": 16.086147950197123,
"density_atomic": 0.060262340836917914,
"volume": 116.15878014004494,
"volume_molar": 9.99320749304633,
"formula_full": "Si1 Sb1 Pt5",
"formula_reduced": "SiSbPt5",
"formula_anonymous": "ABC5",
"energy": -42.99569029,
"energy_per_atom": -6.14224147,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.80369029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0472318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.451000Z",
"spacegroup": 123
},
{
"id": "mp-867774",
"created_at": "2022-09-04T14:42:47.635672Z",
"structure_string": "Ta2 Cr1 Os1\n1.0\n0.000000 3.147140 3.147140\n3.147140 0.000000 3.147140\n3.147140 3.147140 0.000000\nTa Cr Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"Os"
],
"chemical_system": "Cr-Os-Ta",
"density": 16.091460520808138,
"density_atomic": 0.06416257827437519,
"volume": 62.34163444765268,
"volume_molar": 9.385752446305732,
"formula_full": "Ta2 Cr1 Os1",
"formula_reduced": "Ta2CrOs",
"formula_anonymous": "ABC2",
"energy": -45.82957496,
"energy_per_atom": -11.45739374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.82957496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.744000Z",
"spacegroup": 225
},
{
"id": "mp-1220071",
"created_at": "2022-09-04T14:39:46.355637Z",
"structure_string": "Ni1 Ir1\n1.0\n4.242095 -1.338541 0.000000\n4.242095 1.338541 0.000000\n3.819735 0.000000 2.279625\nNi Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni",
"density": 16.09393655787321,
"density_atomic": 0.07725463063110642,
"volume": 25.88841579671865,
"volume_molar": 7.795184199062362,
"formula_full": "Ni1 Ir1",
"formula_reduced": "NiIr",
"formula_anonymous": "AB",
"energy": -14.5935692,
"energy_per_atom": -7.2967846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.5935692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0341903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.807000Z",
"spacegroup": 166
},
{
"id": "mp-956",
"created_at": "2022-09-04T14:40:37.882963Z",
"structure_string": "U6 Si2\n1.0\n-3.006407 3.006407 4.234677\n3.006407 -3.006407 4.234677\n3.006407 3.006407 -4.234677\nU Si\n6 2\ndirect\n0.750000 0.250000 0.500000 U\n0.250000 0.750000 0.500000 U\n0.225970 0.725970 0.951939 U\n0.774030 0.274030 0.048061 U\n0.725970 0.774030 0.500000 U\n0.274030 0.225970 0.500000 U\n0.750000 0.750000 0.000000 Si\n0.250000 0.250000 0.000000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Si"
],
"chemical_system": "Si-U",
"density": 16.09933598629275,
"density_atomic": 0.05225335229020524,
"volume": 153.10022514095388,
"volume_molar": 11.524888827331438,
"formula_full": "U6 Si2",
"formula_reduced": "U3Si",
"formula_anonymous": "AB3",
"energy": -80.40754618,
"energy_per_atom": -10.0509432725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.54954618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0622426,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.117000Z",
"spacegroup": 140
},
{
"id": "mp-1210158",
"created_at": "2022-09-04T14:43:35.941751Z",
"structure_string": "Ni4 W12 N4\n1.0\n0.000000 0.000000 5.253211\n6.174006 0.000000 0.000000\n0.000000 7.939797 0.000000\nNi W N\n4 12 4\ndirect\n0.059029 0.389557 0.250000 Ni\n0.940971 0.610443 0.750000 Ni\n0.559029 0.110443 0.750000 Ni\n0.440970 0.889557 0.250000 Ni\n0.352506 0.189156 0.048898 W\n0.647494 0.810844 0.951102 W\n0.852506 0.310844 0.951102 W\n0.647494 0.810844 0.548898 W\n0.147494 0.689156 0.048898 W\n0.352506 0.189156 0.451102 W\n0.147494 0.689156 0.451102 W\n0.852506 0.310844 0.548898 W\n0.618098 0.512451 0.250000 W\n0.381902 0.487549 0.750000 W\n0.118098 0.987549 0.750000 W\n0.881902 0.012451 0.250000 W\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ni",
"W",
"N"
],
"chemical_system": "N-Ni-W",
"density": 16.100729241321968,
"density_atomic": 0.07766560053368717,
"volume": 257.5142645208167,
"volume_molar": 7.753935743261161,
"formula_full": "Ni4 W12 N4",
"formula_reduced": "NiW3N",
"formula_anonymous": "ABC3",
"energy": -213.15369862,
"energy_per_atom": -10.657684931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.70969862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.343000Z",
"spacegroup": 62
},
{
"id": "mp-1069697",
"created_at": "2022-09-04T14:45:35.519013Z",
"structure_string": "V1 Au4\n1.0\n-3.262594 3.262594 2.031688\n3.262594 -3.262594 2.031688\n3.262594 3.262594 -2.031688\nV Au\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.396567 0.205059 0.601625 Au\n0.603433 0.794941 0.398375 Au\n0.794941 0.396567 0.191508 Au\n0.205059 0.603433 0.808492 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"V",
"Au"
],
"chemical_system": "Au-V",
"density": 16.10157918508274,
"density_atomic": 0.05779987925646253,
"volume": 86.50537102014718,
"volume_molar": 10.418950415587023,
"formula_full": "V1 Au4",
"formula_reduced": "VAu4",
"formula_anonymous": "AB4",
"energy": -22.1449948,
"energy_per_atom": -4.4289989599999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.1449948,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9142103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.171000Z",
"spacegroup": 87
},
{
"id": "mp-1215575",
"created_at": "2022-09-04T14:40:03.206058Z",
"structure_string": "Zn1 Au4\n1.0\n11.493348 -1.488744 0.000000\n11.493348 1.488744 0.000000\n11.300509 0.000000 2.571360\nZn Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.605470 0.605470 0.605470 Au\n0.201517 0.201517 0.201517 Au\n0.798483 0.798483 0.798483 Au\n0.394530 0.394530 0.394530 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Zn",
"Au"
],
"chemical_system": "Au-Zn",
"density": 16.10196206669109,
"density_atomic": 0.05682121868447553,
"volume": 87.99529675286743,
"volume_molar": 10.598401265274774,
"formula_full": "Zn1 Au4",
"formula_reduced": "ZnAu4",
"formula_anonymous": "AB4",
"energy": -14.65418132,
"energy_per_atom": -2.930836264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.65418132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.392000Z",
"spacegroup": 166
},
{
"id": "mp-916",
"created_at": "2022-09-04T14:46:29.381323Z",
"structure_string": "Dy2 Pt4\n1.0\n0.000000 3.847326 3.847326\n3.847326 0.000000 3.847326\n3.847326 3.847326 0.000000\nDy Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Dy\n0.500000 0.500000 0.500000 Dy\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Pt"
],
"chemical_system": "Dy-Pt",
"density": 16.11522800081892,
"density_atomic": 0.05267982121307695,
"volume": 113.8956029431359,
"volume_molar": 11.431589214477244,
"formula_full": "Dy2 Pt4",
"formula_reduced": "DyPt2",
"formula_anonymous": "AB2",
"energy": -40.10288894,
"energy_per_atom": -6.683814823333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.10288894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002501,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.753000Z",
"spacegroup": 227
}
]
}